[7-chloranyl-5-(3-oxidanylpropoxy)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methoxy-4-nitro-phenyl)methanone

Systemtic Name: [7-chloranyl-5-(3-oxidanylpropoxy)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methoxy-4-nitro-phenyl)methanone Openeye Name: [7-chloro-5-(3-hydroxypropoxy)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methoxy-4-nitro-phenyl)methanone CAS Name: [7-chloro-5-(3-hydroxypropoxy)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methoxy-4-nitrophenyl)methanone IUPAC Name: [7-chloro-5-(3-hydroxypropoxy)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methoxy-4-nitrophenyl)methanone Traditional Name: [7-chloro-5-(3-hydroxypropoxy)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methoxy-4-nitro-phenyl)methanone Formula: C21H23ClN2O6 MolecularWeight: 434.87012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)N2CCCC(C3=C2C=CC(=C3)Cl)OCCCO

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)N2CCCC(C3=C2C=CC(=C3)Cl)OCCCO

InChI

InChI=1S/C21H23ClN2O6/c1-29-20-13-15(24(27)28)6-7-16(20)21(26)23-9-2-4-19(30-11-3-10-25)17-12-14(22)5-8-18(17)23/h5-8,12-13,19,25H,2-4,9-11H2,1H3